6-Monoacetilmorfin

6-Monoacetilmorfin
Klinički podaci
Drugs.com	Monografija
Identifikatori
CAS broj	2784-73-8
ATC kod	none
PubChem	CID 5462507
ChemSpider	4575434
ChEMBL	CHEMBL592009
Sinonimi	6-acetylmorphine
Hemijski podaci
Formula	C19H21NO4
Molarna masa	327,374
	SMILES CN1CC[C@@]23[C@H]4Oc5c(O)cc(C(=O)C)c(C[C@@H]1[C@@H]2C=C[C@@H]4O)c35; ;
	InChI InChI=1S/C19H21NO4/c1-9(21)10-8-15(23)17-16-11(10)7-13-12-3-4-14(22)18(24-17)19(12,16)5-6-20(13)2/h3-4,8,12-14,18,22-23H,5-7H2,1-2H3/t12-,13+,14-,18-,19+/m0/s1 ; Key:DUAISAINBBQDAF-MHPFDCNVSA-N ;

6-Monoacetilmorfin je organsko jedinjenje, koje sadrži 19 atoma ugljenika i ima molekulsku masu od 327,374 Da.

Osobine

Osobina	Vrednost
Broj akceptora vodonika	5
Broj donora vodonika	2
Broj rotacionih veza	1
Particioni koeficijent^[1] (ALogP)	1,2
Rastvorljivost^[2] (logS, log(mol/L))	-2,4
Polarna površina^[3] (PSA, Å²)	70,0

^ Ghose, Arup K.; Viswanadhan, Vellarkad N.; Wendoloski, John J. (1998). „Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragmental Methods: An Analysis of ALOGP and CLOGP Methods”. The Journal of Physical Chemistry A. 102 (21): 3762—3772. Bibcode:1998JPCA..102.3762G. doi:10.1021/jp980230o.
^ Tetko, Igor V.; Tanchuk, Vsevolod Yu.; Kasheva, Tamara N.; Villa, Alessandro E. P. (2001). „Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices”. Journal of Chemical Information and Computer Sciences. 41 (6): 1488—1493. PMID 11749573. doi:10.1021/ci000392t.
^ Ertl, Peter; Rohde, Bernhard; Selzer, Paul (2000). „Fast Calculation of Molecular Polar Surface Area as a Sum of Fragment-Based Contributions and Its Application to the Prediction of Drug Transport Properties”. Journal of Medicinal Chemistry. 43 (20): 3714—3717. PMID 11020286. doi:10.1021/jm000942e.